1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine

C12H7BrClN3 — CID 18992522

IUPAC1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Br)cc(Cl)cc2nc2ccccn12
InChIInChI=1S/C12H7BrClN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-
InChIKeyMBLHMOZRDGJKIS-QINSGFPZSA-N
MW308.57 g/mol
LogP3.38
Rot. Bonds

About 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine

1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992522) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992522
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Br)cc(Cl)cc2nc2ccccn12
InChIInChI=1S/C12H7BrClN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-
InChIKeyMBLHMOZRDGJKIS-QINSGFPZSA-N
XLogP3.38
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine (CID 18992522) is 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(Br)cc(Cl)cc2nc2ccccn12.
What is the InChIKey of 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is MBLHMOZRDGJKIS-QINSGFPZSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-.
What are the key properties of 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine?
1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 308.57 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).